Related papers: Magnetic and Electronic Properties of Metal-Atom A…
The electronic configurations of Fe, Co, Ni, and Cu adatoms on graphene and graphite have been studied by x-ray magnetic circular dichroism and charge transfer multiplet theory. A delicate interplay between long-range interactions and local…
We present systematic first-principles results for the electronic and magnetic properties of two-dimensional transition-metal trihalide monolayers MX3 (M = V, Cr, Mn, Fe, Ni, Pd; X = F, Cl, Br, I), focusing on their potential to host the…
We show how coupling to an Einstein phonon $\omega_E$ affects the absorption peaks seen in the optical conductivity of graphene under a magnetic field $B$. The energies and widths of the various lines are shifted, and additional peaks arise…
We have performed an ab initio investigation of the energetic stability, and the electronic properties of transition metals (TMs = Mn, Fe, Co, and Ru) adsorbed on graphene upon the presence of grain boundaries (GBs). Our results reveal an…
Observations of electron-hole asymmetry in transport through graphene devices at high magnetic field challenge prevalent models of the graphene quantum Hall effect. Here, we study this asymmetry both in conventional magnetotransport and in…
We have studied the electronic and magnetic properties of graphene and their modification due to the adsorption of water and other gas molecules. Water and gas molecules adsorbed on nanoscale graphene were found to play the role of defects…
We present an ab-initio density function theory to investigate the electronic and magnetic structures of the bilayer graphene with intercalated atoms C, N, and O. The intercalated atom although initially positioned at the middle site of the…
We report on magneto-transport measurement in disordered graphene under pulsed magnetic field of up to 57T. For large electron or hole doping, the system displays the expected anomalous Integer Quantum Hall Effect (IQHE) specific to…
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by the second-order perturbation theory. The local structure…
We present electronic structure and quantum transport calculations that predict conducting channels induced in graphene quantum dots by lines of adsorbed hydrogen atoms to function as highly efficient, experimentally realizable valley…
By applying tight binding model of adatoms in graphene, we study theoretically the localized aspects of the interaction between transition metal atoms and graphene. Considering the electron-electron interaction by adding a Hubbard term in…
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
Quantum anomalous Hall state is expected to emerge in Dirac electron systems such as graphene under both sufficiently strong exchange and spin-orbit interactions. In pristine graphene, neither interaction exists; however, both interactions…
We theoretically investigate the manipulation of the quantum anomalous Hall effect (QAHE) in graphene by means of the uniaxial strain. The values of Chern number and Hall conductance demonstrate that the strained graphene in presence of…
Adsorbed noble gas atoms donate (on the average) a fraction of an electronic charge to the substrate metal. The effect has been experimentally observed as an adsorptive change in the electronic work function. The connection between the…
The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions. We find that, due to the surface corrugation induced by…
Recent successes in manufacturing of atomically thin graphite samples (graphene) have stimulated intense experimental and theoretical activity. The key feature of graphene is the massless Dirac type of low-energy electron excitations. This…
The analytical expressions for both diagonal and off-diagonal ac and dc conductivities of graphene placed in an external magnetic field are derived. These conductivities exhibit rather unusual behavior as functions of frequency, chemical…
The electromagnetic response of graphene in a magnetic field is studied, with particular emphasis on the quantum features of its ground state (vacuum). The graphene vacuum, unlike in conventional quantum Hall systems, is a dielectric medium…
When electrons are confined in two-dimensional (2D) materials, quantum mechanically enhanced transport phenomena, as exemplified by the quantum Hall effects (QHE), can be observed. Graphene, an isolated single atomic layer of graphite, is…